COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.124   0.552   1.450  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.497   0.207   2.429  1.00  0.00           O  
HETATM    3 CL   UNL     1      -3.530  -5.574   0.479  1.00  0.00          Cl  
HETATM    4  C   UNL     1      -4.065  -3.980   0.045  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.179  -2.919   0.086  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.377  -3.773  -0.346  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.804  -2.506  -0.691  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.918  -1.440  -0.646  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.336  -0.192  -0.985  1.00  0.00           O  
HETATM   10  C   UNL     1      -6.684  -0.062  -1.443  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.602  -1.650  -0.259  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.636  -0.494  -0.215  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.513   0.013   1.224  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.533   1.131   1.461  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.642   1.949   0.248  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.519   2.595  -0.255  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.509   3.881  -0.389  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.656   4.625  -0.085  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.367   5.343  -1.146  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.145   4.686   1.295  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.309   1.778  -0.643  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.575   1.418   0.578  1.00  0.00           N  
HETATM   23  C   UNL     1       0.746   1.993   0.842  1.00  0.00           C  
HETATM   24  C   UNL     1       1.803   1.151   0.175  1.00  0.00           C  
HETATM   25  O   UNL     1       1.480   0.223  -0.535  1.00  0.00           O  
HETATM   26  N   UNL     1       3.108   1.430   0.368  1.00  0.00           N  
HETATM   27  C   UNL     1       4.085   0.739  -0.356  1.00  0.00           C  
HETATM   28  C   UNL     1       5.308   0.444   0.232  1.00  0.00           C  
HETATM   29  C   UNL     1       3.832   0.342  -1.662  1.00  0.00           C  
HETATM   30  C   UNL     1       4.800  -0.340  -2.375  1.00  0.00           C  
HETATM   31  C   UNL     1       6.018  -0.627  -1.788  1.00  0.00           C  
HETATM   32  C   UNL     1       6.271  -0.238  -0.486  1.00  0.00           C  
HETATM   33  S   UNL     1       7.824  -0.612   0.259  1.00  0.00           S  
HETATM   34  O   UNL     1       8.722  -0.714  -0.837  1.00  0.00           O  
HETATM   35  O   UNL     1       7.988   0.393   1.250  1.00  0.00           O  
HETATM   36  C   UNL     1       7.575  -2.234   1.032  1.00  0.00           C  
HETATM   37  H   UNL     1      -2.155  -3.082   0.388  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.066  -4.604  -0.381  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.827  -2.346  -0.997  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.888   0.982  -1.680  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.824  -0.671  -2.336  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.367  -0.398  -0.663  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.659  -0.824  -0.568  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.001   0.310  -0.853  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.702  -0.807   1.916  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.504   0.694   1.695  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.203   1.755   2.292  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.126   4.692  -1.579  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.844   6.229  -0.728  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.660   5.641  -1.920  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.441   4.177   1.953  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.241   5.727   1.601  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.118   4.198   1.357  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.630   0.874  -1.160  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.665   2.366  -1.297  1.00  0.00           H  
HETATM   56  H   UNL     1       0.786   3.008   0.446  1.00  0.00           H  
HETATM   57  H   UNL     1       0.924   2.016   1.918  1.00  0.00           H  
HETATM   58  H   UNL     1       3.369   2.109   1.010  1.00  0.00           H  
HETATM   59  H   UNL     1       5.506   0.748   1.249  1.00  0.00           H  
HETATM   60  H   UNL     1       2.880   0.566  -2.121  1.00  0.00           H  
HETATM   61  H   UNL     1       4.604  -0.649  -3.391  1.00  0.00           H  
HETATM   62  H   UNL     1       6.773  -1.161  -2.348  1.00  0.00           H  
HETATM   63  H   UNL     1       7.304  -2.963   0.268  1.00  0.00           H  
HETATM   64  H   UNL     1       8.497  -2.548   1.523  1.00  0.00           H  
HETATM   65  H   UNL     1       6.776  -2.167   1.770  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.496   2.038  -0.203  1.00  0.00           H  
CONECT    1   13    2    2   22                                       
CONECT    2    1    1                                                 
CONECT    3    4                                                      
CONECT    4    6    3    5    5                                       
CONECT    5    4    4   11   37                                       
CONECT    6    7    7    4   38                                       
CONECT    7    6    6    8   39                                       
CONECT    8    7    9   11   11                                       
CONECT    9   10    8                                                 
CONECT   10    9   40   41   42                                       
CONECT   11    8    8    5   12                                       
CONECT   12   11   13   43   44                                       
CONECT   13   12   14    1   45                                       
CONECT   14   13   15   46   47                                       
CONECT   15   14   16   66                                            
CONECT   16   15   17   17   21                                       
CONECT   17   18   16   16                                            
CONECT   18   19   17   20                                            
CONECT   19   18   48   49   50                                       
CONECT   20   18   51   52   53                                       
CONECT   21   16   22   54   55                                       
CONECT   22    1   21   23                                            
CONECT   23   22   24   56   57                                       
CONECT   24   25   25   23   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   58                                            
CONECT   27   28   26   29   29                                       
CONECT   28   32   32   27   59                                       
CONECT   29   27   27   30   60                                       
CONECT   30   31   31   29   61                                       
CONECT   31   32   30   30   62                                       
CONECT   32   33   28   28   31                                       
CONECT   33   34   34   35   35                                       
CONECT   33   36   32                                                 
CONECT   34   33   33                                                 
CONECT   35   33   33                                                 
CONECT   36   33   63   64   65                                       
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   15                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
